Volume 108, 2012
From the journal:

Annual Reports Section "A" (Inorganic Chemistry)

Computational modelling of inorganic solids

Elaine Ann Moore*a  

* Corresponding authors

a Chemistry and Analytical Science Discipline, Department of Life, Health and Chemical Sciences, The Open University, Walton Hall, Milton Keynes, UK
E-mail: e.a.moore@open.ac.uk
Tel: +441908 655028

Abstract

This report covers papers published in 2011 dealing with the application of computational techniques to inorganic solids. It deals mainly with continuous solids that are ionic in nature; work on metals and MOFs is excluded. Special attention is given to solids used in solid oxide fuel cells, iron-based superconductors, zeolites and systems of interest to the life and earth sciences. Relevant advances in computational methods are also covered.

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Article information

DOI
https://doi.org/10.1039/C2IC90015G
Article type
Review Article
First published
02 May 2012

Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem., 2012,108, 449-463

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Computational modelling of inorganic solids

E. A. Moore, Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem., 2012, 108, 449 DOI: 10.1039/C2IC90015G

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